/tag/amber

  • GPU-enabled Software and UVA HPC

     Please note that certain modules can only run on specific GPU types. This will be displayed in a message upon loading the module.
    Certain software applications may also able to take advantage of the advanced capabilities provided by the NVIDIA DGX BasePOD™.
    Learn More function searchFunction() { var input, filter, table, tr, td, i, txtValue; input = document.getElementById(“searchInput”); filter = input.value.toUpperCase(); table = document.getElementById(“moduleTable”); tr = table.getElementsByTagName(“tr”); for (i = 0; i -1) { tr[i].style.display = “"; } else { tr[i].style.display = “none”; } } } } Module Category Description alphafold bio gpu Open source code for AlphaFold amber chem gpu Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.
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  • Amber and UVA HPC

     Description Amber (originally Assisted Model Building with Energy Refinement) is software for performing
    molecular dynamics and structure prediction.
    Software Category: chem
    For detailed information, visit the Amber
    website
    Local support is not available.
    Available Versions To find the available versions and learn how to load them, run:
    module spider amber The output of the command shows the available Amber
    module versions.
    For detailed information about a particular Amber
    module, including how to load the module, run the module spider command with the module’s full version label. For example:
    module spider amber/24-CUDA-12.2.2 ModuleVersion Module Load Command amber24-CUDA-12.2.2 module load gcc/11.
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